2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane

C19H29F2N5OSi — CID 178072673

IUPAC2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)F)c2ncc(N3CCC4(CC3)CC4)nc21
InChIInChI=1S/C19H29F2N5OSi/c1-28(2,3)11-10-27-13-26-18-16(15(24-26)17(20)21)22-12-14(23-18)25-8-6-19(4-5-19)7-9-25/h12,17H,4-11,13H2,1-3H3
InChIKeyNTGOVIAUTSDWBA-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.46
Rot. Bonds7

About 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 178072673) has the molecular formula C19H29F2N5OSi and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID178072673
Molecular FormulaC19H29F2N5OSi
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC Name2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)F)c2ncc(N3CCC4(CC3)CC4)nc21
InChIInChI=1S/C19H29F2N5OSi/c1-28(2,3)11-10-27-13-26-18-16(15(24-26)17(20)21)22-12-14(23-18)25-8-6-19(4-5-19)7-9-25/h12,17H,4-11,13H2,1-3H3
InChIKeyNTGOVIAUTSDWBA-UHFFFAOYSA-N
XLogP4.46
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 157362664
(3S,4S)-8-[5-(difluoromethyl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 166521204
2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 167528226
[6-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]methoxy-tri(propan-2-yl)silane
CID 175514505
tert-butyl N-[(1S)-1'-[3-(3,6-dihydro-2H-pyran-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 170693486
2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 158580861
4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine
CID 171630055
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912
(3-amino-2,2-dimethyl-3-oxopropyl) 2-(3,3-dimethylpyrrolidin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 67009271

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane (CID 178072673) is 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(C(F)F)c2ncc(N3CCC4(CC3)CC4)nc21.
What is the InChIKey of 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NTGOVIAUTSDWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N5OSi/c1-28(2,3)11-10-27-13-26-18-16(15(24-26)17(20)21)22-12-14(23-18)25-8-6-19(4-5-19)7-9-25/h12,17H,4-11,13H2,1-3H3.
What are the key properties of 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 409.56 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 178072673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).